Information card for entry 7233213

Structure parameters

• Common name: tenoxicam chloroform I solvate
• Formula: C28 H24 Cl6 N6 O8 S4
• Calculated formula: C28 H24 Cl6 N6 O8 S4
• Title of publication: The role of S-bond in tenoxicam keto‒enolic tautomerization
• Authors of publication: Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 36
• Pages of publication: 5392
• a: 10.6019 ± 0.0012 Å
• b: 12.781 ± 0.001 Å
• c: 28.841 ± 0.002 Å
• α: 90°
• β: 92.076 ± 0.01°
• γ: 90°
• Cell volume: 3905.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2576
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.3158
• Weighted residual factors for all reflections included in the refinement: 0.3957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No